AN-698/42116443
TL;DR: AN-698/42116443 (CAS 694460-90-7) is a chemical compound with molecular formula C20H19ClFN5O2S and molecular weight 447.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[[4-ethyl-5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: AN-698/42116443, 4-chloro-N-[[4-ethyl-5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide, 4-chloro-N-{[4-ethyl-5-({2-[(2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide, 4-chloro-N-[(4-ethyl-5-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide
| Molecular Formula | C20H19ClFN5O2S |
|---|---|
| Molecular Weight | 447.09 g/mol |
| LogP | 3.7513 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.0932 |
| Heavy Atoms | 30 |
| Complexity | 1041.931 |
Chemical Identifiers
| CAS Number | 694460-90-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)CNC(=O)C3=CC=C(C=C3)Cl |
Product Overview
AN-698/42116443 (CAS 694460-90-7), with molecular formula C20H19ClFN5O2S and molecular weight 447.09 g/mol. IUPAC: 4-chloro-N-[[4-ethyl-5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of AN-698/42116443
Property Insights of AN-698/42116443
The XLogP value of 3.7513 indicates that AN-698/42116443 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/42116443. Following Lipinski's Rule of Five, AN-698/42116443 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-698/42116443?
The CAS number of AN-698/42116443 is 694460-90-7.
What is the molecular formula of AN-698/42116443?
The molecular formula of AN-698/42116443 is C20H19ClFN5O2S.
What is the molecular weight of AN-698/42116443?
The molecular weight of AN-698/42116443 is 447.09 g/mol.
Where can I buy AN-698/42116443?
You can request a quote for AN-698/42116443 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42116443?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42116443 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.